[email protected]
CAS 1174223-26-7 Benzo[1,2-b:3,4-b’:5,6-b”]trithiophene, 2,5,8-tribromo- molecular structure lightbox
CAS RN: 1174223-26-7

Benzo[1,2-b:3,4-b’:5,6-b”]trithiophene, 2,5,8-tribromo-

Product Availability

Choose a grade to view its available package options.

4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260406 100mg In stock Shanghai Inquiry
Batchno.20250329 1g In stock Shanghai Inquiry
Batchno.20250624 250mg In stock Shanghai Inquiry
Batchno.20260116 50mg In stock Shanghai Inquiry
  • Product code: SSC-017294
GET A QUOTE
Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.1g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1174223-26-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ＞97% 0 Out of Stock Beijing Inquiry

1174223-26-7 / 4,9,14-tribromo-3,8,13-trithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2(6),4,7(11),9,14-hexaene

2,5,8-Tribromobenzo[1,2-b:3,4-b':5,6-b'']trithiophene | 2,5,8-Tribromobenzo[1,2-b:3,4-b':5,6-b"]trithiophene | MFCD34473729

Standard CAS: 1174223-26-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1174223-26-7
Multi CAS
No
Molecular Formula
C12H3Br3S3
Molecular Weight
483.100000
Exact Mass
481.692650
SMILES
C1=C(SC2=C1C3=C(C=C(S3)Br)C4=C2C=C(S4)Br)Br
InChI
InChI=1S/C12H3Br3S3/c13-7-1-4-10(16-7)5-2-9(15)18-12(5)6-3-8(14)17-11(4)6/h1-3H
InChIKey
QGROIEURFZUIHM-UHFFFAOYSA-N
Synonyms
2,5,8-Tribromobenzo[1,2-b:3,4-b':5,6-b'']trithiophene 2,5,8-Tribromobenzo[1,2-b:3,4-b':5,6-b"]trithiophene MFCD34473729 4,9,14-tribromo-3,8,13-trithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2(6),4,7(11),9,14-hexaene 4,9,14-tribromo-3,8,13-trithiatetracyclo[10.3.0.0(2),?.0?,(1)(1)]pentadeca-1(12),2(6),4,7(11),9,14-hexaene

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
15
H-bond acceptors
3
Molar refractivity
95.69
TPSA
84.7000

LogP / Solubility

WLOGP
7.62
MLOGP
6.74
XLogP3
8.1
Consensus LogP
7.49
Log S (ESOL)
-8.25
Class (ESOL)
Insoluble
Log S (Ali)
-9.02
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.12
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.26

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

Customers Also Viewed

Get In Touch

Contact Us